K410-0489 Screening compound: 3-nitro-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0489 Screening compound: 3-nitro-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0489 Screening compound: 3-nitro-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0489
3-nitro-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K410-0489

Molecular Formula

C18H13N5O7S (C18 H13 N5 O7 S)

Compound Name

3-nitro-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

IUPAC name

3-nitro-N-[2-(4-nitrophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]benzamide

SMILES

[O-][N+](c(cc1)ccc1-n1nc(CS(C2)(=O)=O)c2c1NC(c1cc([N+]([O-])=O)ccc1)=O)=O

InChI

InChI=1S/C18H13N5O7S/c24-18(11-2-1-3-14(8-11)23(27)28)19-17-15-9-31(29,30)10-16(15)20-21(17)12-4-6-13(7-5-12)22(25)26/h1-8H,9-10H2,(H,19,24)

InChI Key

ANAHHMKYPJBIHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04452292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.4

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.833

Water Solubility, LogSw

-2.56

Polar Surface Area

133.464

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K410-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0489?
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What is the minimum amount of K410-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0489
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K410-0489 available by request